N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline

C55H38N2 — CID 167214673

IUPACN,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cc3)c2)cc1
InChIInChI=1S/C55H38N2/c1-4-17-39(18-5-1)40-19-16-24-46(37-40)56(43-22-8-3-9-23-43)44-32-34-45(35-33-44)57-53-30-15-12-27-49(53)50-38-42(31-36-54(50)57)55(41-20-6-2-7-21-41)51-28-13-10-25-47(51)48-26-11-14-29-52(48)55/h1-38H
InChIKeyHQTGPKAUURMKCQ-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.28
Rot. Bonds7

About N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline

N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline (PubChem CID 167214673) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
PubChem CID167214673
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC NameN,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cc3)c2)cc1
InChIInChI=1S/C55H38N2/c1-4-17-39(18-5-1)40-19-16-24-46(37-40)56(43-22-8-3-9-23-43)44-32-34-45(35-33-44)57-53-30-15-12-27-49(53)50-38-42(31-36-54(50)57)55(41-20-6-2-7-21-41)51-28-13-10-25-47(51)48-26-11-14-29-52(48)55/h1-38H
InChIKeyHQTGPKAUURMKCQ-UHFFFAOYSA-N
XLogP14.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-phenyl-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 169292999
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine
CID 118204417
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 162087677
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214691

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?
The IUPAC name of N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline (CID 167214673) is N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline.
What is the SMILES notation for N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?
The canonical SMILES for N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cc3)c2)cc1.
What is the InChIKey of N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?
The InChIKey is HQTGPKAUURMKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-4-17-39(18-5-1)40-19-16-24-46(37-40)56(43-22-8-3-9-23-43)44-32-34-45(35-33-44)57-53-30-15-12-27-49(53)50-38-42(31-36-54(50)57)55(41-20-6-2-7-21-41)51-28-13-10-25-47(51)48-26-11-14-29-52(48)55/h1-38H.
What are the key properties of N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline?
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline has a molecular weight of 726.92 g/mol, XLogP of 14.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 167214673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).